2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid

C10H15N3O3S — CID 55007172

IUPAC2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
SMILESCc1cnc(NC(=O)N(C)CC(C)C(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-6(8(14)15)5-13(3)10(16)12-9-11-4-7(2)17-9/h4,6H,5H2,1-3H3,(H,14,15)(H,11,12,16)
InChIKeyYXIWOSLDEZPNJG-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 55007172) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
PubChem CID55007172
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
SMILESCc1cnc(NC(=O)N(C)CC(C)C(=O)O)s1
InChIInChI=1S/C10H15N3O3S/c1-6(8(14)15)5-13(3)10(16)12-9-11-4-7(2)17-9/h4,6H,5H2,1-3H3,(H,14,15)(H,11,12,16)
InChIKeyYXIWOSLDEZPNJG-UHFFFAOYSA-N
XLogP1.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
CID 43135843
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007133
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
3-[methyl-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 122091531
2-methyl-3-[methyl-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid
CID 122076890
3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086035
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61191664
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid (CID 55007172) is 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid is Cc1cnc(NC(=O)N(C)CC(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is YXIWOSLDEZPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(8(14)15)5-13(3)10(16)12-9-11-4-7(2)17-9/h4,6H,5H2,1-3H3,(H,14,15)(H,11,12,16).
What are the key properties of 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55007172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).